1-methyl-3-(propylamino)pyrrolidine-2,5-dione

C8H14N2O2 — CID 43635902

IUPAC1-methyl-3-(propylamino)pyrrolidine-2,5-dione
SMILESCCCNC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H14N2O2/c1-3-4-9-6-5-7(11)10(2)8(6)12/h6,9H,3-5H2,1-2H3
InChIKeyDLIUQBXEHKZQEP-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.26
Rot. Bonds3

About 1-methyl-3-(propylamino)pyrrolidine-2,5-dione

1-methyl-3-(propylamino)pyrrolidine-2,5-dione (PubChem CID 43635902) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-methyl-3-(propylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(propylamino)pyrrolidine-2,5-dione
PubChem CID43635902
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-methyl-3-(propylamino)pyrrolidine-2,5-dione
SMILESCCCNC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H14N2O2/c1-3-4-9-6-5-7(11)10(2)8(6)12/h6,9H,3-5H2,1-2H3
InChIKeyDLIUQBXEHKZQEP-UHFFFAOYSA-N
XLogP-0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(propylamino)pyrrolidine-2,5-dione (CID 43635902) is 1-methyl-3-(propylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(propylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(propylamino)pyrrolidine-2,5-dione is CCCNC1CC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-(propylamino)pyrrolidine-2,5-dione?
The InChIKey is DLIUQBXEHKZQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-4-9-6-5-7(11)10(2)8(6)12/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-methyl-3-(propylamino)pyrrolidine-2,5-dione?
1-methyl-3-(propylamino)pyrrolidine-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43635902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).